3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid

C17H19N3O5 — CID 134349828

IUPAC3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid
SMILESO=C(NC1CN(C(=O)O)C1)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H19N3O5/c21-14-7-6-13(20(14)8-11-4-2-1-3-5-11)15(22)16(23)18-12-9-19(10-12)17(24)25/h1-5,12-13H,6-10H2,(H,18,23)(H,24,25)/t13-/m1/s1
InChIKeyYWWIWIQCCJBRNF-CYBMUJFWSA-N
MW345.36 g/mol
LogP0.23
Rot. Bonds5

About 3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid

3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid (PubChem CID 134349828) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid
PubChem CID134349828
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid
SMILESO=C(NC1CN(C(=O)O)C1)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H19N3O5/c21-14-7-6-13(20(14)8-11-4-2-1-3-5-11)15(22)16(23)18-12-9-19(10-12)17(24)25/h1-5,12-13H,6-10H2,(H,18,23)(H,24,25)/t13-/m1/s1
InChIKeyYWWIWIQCCJBRNF-CYBMUJFWSA-N
XLogP0.23
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide
CID 139335074
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-[1-(cyclobutanecarbonyl)azetidin-3-yl]-2-oxoacetamide
CID 134349368
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide
CID 134349466
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-2-oxoacetamide
CID 139335095
2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide
CID 134349862
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide
CID 139335049
N-(azetidin-1-ium-3-yl)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetamide;2,2,2-trifluoroacetate
CID 134349683
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-(2-propan-2-yloxyethyl)acetamide
CID 139329088
1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide
CID 110625068
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(5-methyl-4-oxohexyl)-2-oxoacetamide
CID 157240893
5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 110387635
tert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate
CID 139329154

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid?
The IUPAC name of 3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid (CID 134349828) is 3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid?
The canonical SMILES for 3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid is O=C(NC1CN(C(=O)O)C1)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid?
The InChIKey is YWWIWIQCCJBRNF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O5/c21-14-7-6-13(20(14)8-11-4-2-1-3-5-11)15(22)16(23)18-12-9-19(10-12)17(24)25/h1-5,12-13H,6-10H2,(H,18,23)(H,24,25)/t13-/m1/s1.
What are the key properties of 3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid?
3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxoacetyl]amino]azetidine-1-carboxylic acid is sourced from PubChem (CID 134349828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).